[
  {
    "molid": "mol13052",
    "smiles": "N[C@H]1CCCC[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H]1CCCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.738802909851074,
        "relative_population": 0.9999830752214672
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@H]1CCCC[C@@H]1C(=O)O",
        "std_free_energy": -4.919297218322754,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@H]1CCCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -3.763742208480835,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.78999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.58999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]